[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

C19H26N2O3 — CID 95179871

IUPAC[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1)N1CCCCC1
InChIInChI=1S/C19H26N2O3/c22-18(20-8-2-1-3-9-20)14-6-10-21(11-7-14)19(23)16-13-15(16)17-5-4-12-24-17/h4-5,12,14-16H,1-3,6-11,13H2/t15-,16+/m0/s1
InChIKeyVBSLVLKCVNKYBZ-JKSUJKDBSA-N
MW330.43 g/mol
LogP2.63
Rot. Bonds3

About [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 95179871) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID95179871
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1)N1CCCCC1
InChIInChI=1S/C19H26N2O3/c22-18(20-8-2-1-3-9-20)14-6-10-21(11-7-14)19(23)16-13-15(16)17-5-4-12-24-17/h4-5,12,14-16H,1-3,6-11,13H2/t15-,16+/m0/s1
InChIKeyVBSLVLKCVNKYBZ-JKSUJKDBSA-N
XLogP2.63
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
N-cyclohexyl-1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 75405699
(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone
CID 124859877
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95588595
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95588176
[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 124850699
[2-(furan-2-yl)cyclopropyl]-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56820962
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 95588070
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947

Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 95179871) is [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1)N1CCCCC1.
What is the InChIKey of [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is VBSLVLKCVNKYBZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(20-8-2-1-3-9-20)14-6-10-21(11-7-14)19(23)16-13-15(16)17-5-4-12-24-17/h4-5,12,14-16H,1-3,6-11,13H2/t15-,16+/m0/s1.
What are the key properties of [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95179871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).